USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 HIS : no HE2:sc= -2.27! C(o=-2.9!,f=-6.6!) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.624 K(o=-2.9,f=-4.4!) USER MOD Single : A 81 SER OG : rot -31:sc= 0.0156 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -130:sc= -0.198 (180deg=-0.283) USER MOD Single : A 110 THR OG1 : rot -80:sc= 0.757 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 155:sc= -2.01! USER MOD Single : A 124 MET CE :methyl -101:sc= -0.021 (180deg=-0.18) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -3.85! C(o=-3.8!,f=-4.3!) USER MOD Single : A 138 TYR OH : rot 156:sc= -0.456 USER MOD Single : A 143 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : A 144 MET CE :methyl 168:sc= -3.12 (180deg=-3.44) USER MOD Single : A 145 MET CE :methyl -126:sc= -0.407 (180deg=-4.9!) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -1.66! C(o=-1.7!,f=-11!) USER MOD Single : B 48 SER OG : rot -32:sc= 0.896 USER MOD Single : B 49 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.53) USER MOD Single : B 52 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.107) USER MOD Single : B 54 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.38) USER MOD Single : B 55 LYS NZ :NH3+ 163:sc= -0.0344 (180deg=-0.486) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 4.572 -8.692 -12.520 1.00 0.00 N ATOM 81 CA SER A 81 4.842 -8.595 -11.087 1.00 0.00 C ATOM 82 C SER A 81 3.709 -7.876 -10.370 1.00 0.00 C ATOM 83 O SER A 81 3.687 -7.803 -9.143 1.00 0.00 O ATOM 84 CB SER A 81 6.158 -7.856 -10.841 1.00 0.00 C ATOM 85 OG SER A 81 6.009 -6.494 -11.216 1.00 0.00 O ATOM 0 HA SER A 81 4.920 -9.607 -10.690 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.437 -7.927 -9.790 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.961 -8.318 -11.416 1.00 0.00 H new ATOM 0 HG SER A 81 5.370 -6.426 -11.956 1.00 0.00 H new ATOM 91 N GLU A 82 2.779 -7.331 -11.138 1.00 0.00 N ATOM 92 CA GLU A 82 1.664 -6.607 -10.547 1.00 0.00 C ATOM 93 C GLU A 82 0.936 -7.518 -9.572 1.00 0.00 C ATOM 94 O GLU A 82 0.469 -7.080 -8.521 1.00 0.00 O ATOM 95 CB GLU A 82 0.688 -6.148 -11.638 1.00 0.00 C ATOM 96 CG GLU A 82 1.332 -5.059 -12.506 1.00 0.00 C ATOM 97 CD GLU A 82 2.238 -5.686 -13.563 1.00 0.00 C ATOM 98 OE1 GLU A 82 2.314 -6.902 -13.611 1.00 0.00 O ATOM 99 OE2 GLU A 82 2.845 -4.937 -14.310 1.00 0.00 O ATOM 0 H GLU A 82 2.772 -7.374 -12.157 1.00 0.00 H new ATOM 0 HA GLU A 82 2.047 -5.731 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.402 -6.996 -12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.225 -5.766 -11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.557 -4.464 -12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.910 -4.380 -11.879 1.00 0.00 H new ATOM 106 N GLU A 83 0.857 -8.787 -9.928 1.00 0.00 N ATOM 107 CA GLU A 83 0.197 -9.773 -9.083 1.00 0.00 C ATOM 108 C GLU A 83 0.966 -9.970 -7.774 1.00 0.00 C ATOM 109 O GLU A 83 0.375 -10.251 -6.736 1.00 0.00 O ATOM 110 CB GLU A 83 0.129 -11.108 -9.827 1.00 0.00 C ATOM 111 CG GLU A 83 1.538 -11.702 -9.943 1.00 0.00 C ATOM 112 CD GLU A 83 1.536 -12.851 -10.945 1.00 0.00 C ATOM 113 OE1 GLU A 83 0.487 -13.119 -11.507 1.00 0.00 O ATOM 114 OE2 GLU A 83 2.583 -13.447 -11.137 1.00 0.00 O ATOM 0 H GLU A 83 1.241 -9.162 -10.796 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.806 -9.416 -8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.526 -11.799 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.298 -10.962 -10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.242 -10.932 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.873 -12.058 -8.969 1.00 0.00 H new ATOM 121 N GLU A 84 2.291 -9.838 -7.836 1.00 0.00 N ATOM 122 CA GLU A 84 3.128 -10.027 -6.649 1.00 0.00 C ATOM 123 C GLU A 84 2.776 -9.014 -5.562 1.00 0.00 C ATOM 124 O GLU A 84 2.607 -9.371 -4.394 1.00 0.00 O ATOM 125 CB GLU A 84 4.607 -9.883 -7.031 1.00 0.00 C ATOM 126 CG GLU A 84 5.489 -10.146 -5.807 1.00 0.00 C ATOM 127 CD GLU A 84 6.960 -10.073 -6.202 1.00 0.00 C ATOM 128 OE1 GLU A 84 7.229 -9.827 -7.367 1.00 0.00 O ATOM 129 OE2 GLU A 84 7.796 -10.266 -5.336 1.00 0.00 O ATOM 0 H GLU A 84 2.805 -9.603 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 84 2.945 -11.027 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.856 -10.585 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.796 -8.882 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.275 -9.412 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.264 -11.127 -5.390 1.00 0.00 H new ATOM 136 N ILE A 85 2.644 -7.757 -5.956 1.00 0.00 N ATOM 137 CA ILE A 85 2.287 -6.706 -5.015 1.00 0.00 C ATOM 138 C ILE A 85 0.841 -6.874 -4.575 1.00 0.00 C ATOM 139 O ILE A 85 0.486 -6.575 -3.439 1.00 0.00 O ATOM 140 CB ILE A 85 2.491 -5.320 -5.638 1.00 0.00 C ATOM 141 CG1 ILE A 85 3.990 -5.025 -5.784 1.00 0.00 C ATOM 142 CG2 ILE A 85 1.857 -4.262 -4.731 1.00 0.00 C ATOM 143 CD1 ILE A 85 4.544 -4.434 -4.480 1.00 0.00 C ATOM 0 H ILE A 85 2.778 -7.440 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 85 2.939 -6.787 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 85 2.023 -5.297 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.526 -5.941 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.152 -4.327 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.999 -3.274 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.791 -4.463 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.329 -4.294 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.608 -4.229 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.019 -3.507 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.398 -5.146 -3.667 1.00 0.00 H new ATOM 155 N ARG A 86 0.013 -7.369 -5.488 1.00 0.00 N ATOM 156 CA ARG A 86 -1.399 -7.596 -5.208 1.00 0.00 C ATOM 157 C ARG A 86 -1.572 -8.609 -4.077 1.00 0.00 C ATOM 158 O ARG A 86 -2.458 -8.467 -3.234 1.00 0.00 O ATOM 159 CB ARG A 86 -2.078 -8.112 -6.475 1.00 0.00 C ATOM 160 CG ARG A 86 -3.570 -8.312 -6.232 1.00 0.00 C ATOM 161 CD ARG A 86 -4.243 -8.654 -7.560 1.00 0.00 C ATOM 162 NE ARG A 86 -4.262 -7.484 -8.430 1.00 0.00 N ATOM 163 CZ ARG A 86 -4.767 -7.549 -9.657 1.00 0.00 C ATOM 164 NH1 ARG A 86 -5.255 -8.674 -10.103 1.00 0.00 N ATOM 165 NH2 ARG A 86 -4.774 -6.488 -10.417 1.00 0.00 N ATOM 0 H ARG A 86 0.298 -7.622 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.856 -6.657 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.927 -7.405 -7.290 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.623 -9.054 -6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.731 -9.113 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.008 -7.408 -5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.709 -9.470 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.261 -9.000 -7.382 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.881 -6.601 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.249 -9.504 -9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.643 -8.724 -11.045 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.392 -5.609 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.162 -6.538 -11.359 1.00 0.00 H new ATOM 179 N GLU A 87 -0.724 -9.635 -4.071 1.00 0.00 N ATOM 180 CA GLU A 87 -0.803 -10.669 -3.042 1.00 0.00 C ATOM 181 C GLU A 87 -0.639 -10.048 -1.659 1.00 0.00 C ATOM 182 O GLU A 87 -1.317 -10.438 -0.706 1.00 0.00 O ATOM 183 CB GLU A 87 0.281 -11.728 -3.259 1.00 0.00 C ATOM 184 CG GLU A 87 -0.073 -12.585 -4.475 1.00 0.00 C ATOM 185 CD GLU A 87 1.103 -13.486 -4.837 1.00 0.00 C ATOM 186 OE1 GLU A 87 2.191 -13.231 -4.347 1.00 0.00 O ATOM 187 OE2 GLU A 87 0.899 -14.417 -5.598 1.00 0.00 O ATOM 0 H GLU A 87 0.017 -9.772 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.781 -11.145 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.248 -11.247 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.372 -12.356 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.953 -13.191 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.325 -11.945 -5.320 1.00 0.00 H new ATOM 194 N ALA A 88 0.250 -9.072 -1.555 1.00 0.00 N ATOM 195 CA ALA A 88 0.480 -8.396 -0.285 1.00 0.00 C ATOM 196 C ALA A 88 -0.800 -7.725 0.206 1.00 0.00 C ATOM 197 O ALA A 88 -1.057 -7.680 1.409 1.00 0.00 O ATOM 198 CB ALA A 88 1.591 -7.354 -0.429 1.00 0.00 C ATOM 0 H ALA A 88 0.821 -8.731 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 88 0.787 -9.143 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.751 -6.858 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.512 -7.845 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.302 -6.615 -1.177 1.00 0.00 H new ATOM 204 N PHE A 89 -1.623 -7.240 -0.724 1.00 0.00 N ATOM 205 CA PHE A 89 -2.890 -6.624 -0.344 1.00 0.00 C ATOM 206 C PHE A 89 -3.896 -7.700 0.063 1.00 0.00 C ATOM 207 O PHE A 89 -4.651 -7.526 1.019 1.00 0.00 O ATOM 208 CB PHE A 89 -3.439 -5.775 -1.494 1.00 0.00 C ATOM 209 CG PHE A 89 -2.679 -4.470 -1.544 1.00 0.00 C ATOM 210 CD1 PHE A 89 -3.074 -3.402 -0.728 1.00 0.00 C ATOM 211 CD2 PHE A 89 -1.577 -4.329 -2.393 1.00 0.00 C ATOM 212 CE1 PHE A 89 -2.364 -2.195 -0.763 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.866 -3.122 -2.429 1.00 0.00 C ATOM 214 CZ PHE A 89 -1.260 -2.055 -1.613 1.00 0.00 C ATOM 0 H PHE A 89 -1.439 -7.261 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.720 -5.969 0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.335 -6.308 -2.439 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.503 -5.587 -1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.925 -3.509 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.273 -5.152 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.668 -1.372 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.015 -3.015 -3.085 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.713 -1.124 -1.639 1.00 0.00 H new ATOM 224 N ARG A 90 -3.904 -8.812 -0.676 1.00 0.00 N ATOM 225 CA ARG A 90 -4.831 -9.904 -0.382 1.00 0.00 C ATOM 226 C ARG A 90 -4.865 -10.176 1.113 1.00 0.00 C ATOM 227 O ARG A 90 -5.882 -10.611 1.651 1.00 0.00 O ATOM 228 CB ARG A 90 -4.419 -11.186 -1.115 1.00 0.00 C ATOM 229 CG ARG A 90 -5.392 -11.489 -2.262 1.00 0.00 C ATOM 230 CD ARG A 90 -5.226 -10.451 -3.371 1.00 0.00 C ATOM 231 NE ARG A 90 -6.388 -10.463 -4.253 1.00 0.00 N ATOM 232 CZ ARG A 90 -6.479 -11.324 -5.260 1.00 0.00 C ATOM 233 NH1 ARG A 90 -5.519 -12.183 -5.474 1.00 0.00 N ATOM 234 NH2 ARG A 90 -7.529 -11.313 -6.035 1.00 0.00 N ATOM 0 H ARG A 90 -3.288 -8.978 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.821 -9.602 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.408 -11.078 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.402 -12.022 -0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.204 -12.488 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.418 -11.479 -1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.102 -9.460 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.323 -10.662 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.145 -9.798 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.699 -12.193 -4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.589 -12.844 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.280 -10.643 -5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.599 -11.974 -6.808 1.00 0.00 H new ATOM 248 N VAL A 91 -3.752 -9.908 1.781 1.00 0.00 N ATOM 249 CA VAL A 91 -3.666 -10.117 3.217 1.00 0.00 C ATOM 250 C VAL A 91 -4.697 -9.261 3.944 1.00 0.00 C ATOM 251 O VAL A 91 -5.314 -9.708 4.911 1.00 0.00 O ATOM 252 CB VAL A 91 -2.254 -9.774 3.700 1.00 0.00 C ATOM 253 CG1 VAL A 91 -2.230 -9.738 5.229 1.00 0.00 C ATOM 254 CG2 VAL A 91 -1.282 -10.848 3.208 1.00 0.00 C ATOM 0 H VAL A 91 -2.900 -9.547 1.353 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.876 -11.164 3.437 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.961 -8.800 3.309 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.224 -9.494 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.929 -8.981 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.520 -10.713 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.274 -10.610 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.580 -11.818 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.298 -10.882 2.119 1.00 0.00 H new ATOM 264 N PHE A 92 -4.880 -8.031 3.478 1.00 0.00 N ATOM 265 CA PHE A 92 -5.841 -7.130 4.105 1.00 0.00 C ATOM 266 C PHE A 92 -7.228 -7.294 3.482 1.00 0.00 C ATOM 267 O PHE A 92 -8.241 -7.057 4.139 1.00 0.00 O ATOM 268 CB PHE A 92 -5.375 -5.684 3.949 1.00 0.00 C ATOM 269 CG PHE A 92 -3.907 -5.585 4.303 1.00 0.00 C ATOM 270 CD1 PHE A 92 -3.451 -5.998 5.564 1.00 0.00 C ATOM 271 CD2 PHE A 92 -3.000 -5.076 3.368 1.00 0.00 C ATOM 272 CE1 PHE A 92 -2.093 -5.900 5.883 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.643 -4.981 3.690 1.00 0.00 C ATOM 274 CZ PHE A 92 -1.188 -5.393 4.947 1.00 0.00 C ATOM 0 H PHE A 92 -4.383 -7.638 2.679 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.905 -7.380 5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.536 -5.347 2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.961 -5.030 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.149 -6.392 6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.348 -4.756 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.743 -6.217 6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.944 -4.588 2.966 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.139 -5.319 5.194 1.00 0.00 H new ATOM 284 N ASP A 93 -7.271 -7.719 2.220 1.00 0.00 N ATOM 285 CA ASP A 93 -8.550 -7.929 1.546 1.00 0.00 C ATOM 286 C ASP A 93 -9.039 -9.349 1.810 1.00 0.00 C ATOM 287 O ASP A 93 -9.005 -10.201 0.923 1.00 0.00 O ATOM 288 CB ASP A 93 -8.412 -7.710 0.038 1.00 0.00 C ATOM 289 CG ASP A 93 -9.788 -7.753 -0.619 1.00 0.00 C ATOM 290 OD1 ASP A 93 -10.733 -8.126 0.056 1.00 0.00 O ATOM 291 OD2 ASP A 93 -9.876 -7.415 -1.788 1.00 0.00 O ATOM 0 H ASP A 93 -6.449 -7.922 1.652 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.270 -7.210 1.938 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.936 -6.749 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.769 -8.478 -0.393 1.00 0.00 H new ATOM 296 N LYS A 94 -9.479 -9.600 3.038 1.00 0.00 N ATOM 297 CA LYS A 94 -9.961 -10.923 3.424 1.00 0.00 C ATOM 298 C LYS A 94 -11.270 -11.274 2.736 1.00 0.00 C ATOM 299 O LYS A 94 -11.640 -12.444 2.643 1.00 0.00 O ATOM 300 CB LYS A 94 -10.159 -10.971 4.937 1.00 0.00 C ATOM 301 CG LYS A 94 -11.267 -9.998 5.360 1.00 0.00 C ATOM 302 CD LYS A 94 -11.426 -10.044 6.880 1.00 0.00 C ATOM 303 CE LYS A 94 -12.538 -9.083 7.304 1.00 0.00 C ATOM 304 NZ LYS A 94 -12.701 -9.134 8.783 1.00 0.00 N ATOM 0 H LYS A 94 -9.512 -8.905 3.784 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.213 -11.652 3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.418 -11.984 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.227 -10.713 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.020 -8.986 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.206 -10.266 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.664 -11.058 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.489 -9.769 7.363 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.296 -8.068 6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.474 -9.354 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.457 -8.481 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.951 -10.101 9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.809 -8.855 9.240 1.00 0.00 H new ATOM 318 N ASP A 95 -11.966 -10.259 2.258 1.00 0.00 N ATOM 319 CA ASP A 95 -13.237 -10.476 1.581 1.00 0.00 C ATOM 320 C ASP A 95 -13.014 -10.825 0.115 1.00 0.00 C ATOM 321 O ASP A 95 -13.852 -11.471 -0.513 1.00 0.00 O ATOM 322 CB ASP A 95 -14.107 -9.223 1.685 1.00 0.00 C ATOM 323 CG ASP A 95 -14.568 -9.026 3.125 1.00 0.00 C ATOM 324 OD1 ASP A 95 -14.444 -9.961 3.899 1.00 0.00 O ATOM 325 OD2 ASP A 95 -15.038 -7.942 3.433 1.00 0.00 O ATOM 0 H ASP A 95 -11.678 -9.283 2.324 1.00 0.00 H new ATOM 0 HA ASP A 95 -13.745 -11.310 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.544 -8.351 1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.971 -9.315 1.027 1.00 0.00 H new ATOM 330 N GLY A 96 -11.884 -10.386 -0.430 1.00 0.00 N ATOM 331 CA GLY A 96 -11.578 -10.656 -1.828 1.00 0.00 C ATOM 332 C GLY A 96 -12.529 -9.884 -2.736 1.00 0.00 C ATOM 333 O GLY A 96 -12.882 -10.346 -3.821 1.00 0.00 O ATOM 0 H GLY A 96 -11.174 -9.849 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.548 -10.372 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.662 -11.725 -2.026 1.00 0.00 H new ATOM 337 N ASN A 97 -12.943 -8.705 -2.279 1.00 0.00 N ATOM 338 CA ASN A 97 -13.856 -7.872 -3.052 1.00 0.00 C ATOM 339 C ASN A 97 -13.086 -6.855 -3.888 1.00 0.00 C ATOM 340 O ASN A 97 -13.675 -6.111 -4.671 1.00 0.00 O ATOM 341 CB ASN A 97 -14.814 -7.139 -2.110 1.00 0.00 C ATOM 342 CG ASN A 97 -16.043 -6.668 -2.879 1.00 0.00 C ATOM 343 OD1 ASN A 97 -16.502 -7.349 -3.796 1.00 0.00 O ATOM 344 ND2 ASN A 97 -16.607 -5.535 -2.558 1.00 0.00 N ATOM 0 H ASN A 97 -12.662 -8.308 -1.383 1.00 0.00 H new ATOM 0 HA ASN A 97 -14.423 -8.517 -3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.115 -7.800 -1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.309 -6.286 -1.657 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.430 -5.212 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.225 -4.972 -1.798 1.00 0.00 H new ATOM 351 N GLY A 98 -11.765 -6.834 -3.723 1.00 0.00 N ATOM 352 CA GLY A 98 -10.927 -5.903 -4.473 1.00 0.00 C ATOM 353 C GLY A 98 -10.665 -4.624 -3.679 1.00 0.00 C ATOM 354 O GLY A 98 -10.066 -3.680 -4.196 1.00 0.00 O ATOM 0 H GLY A 98 -11.257 -7.445 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.979 -6.381 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.412 -5.654 -5.417 1.00 0.00 H new ATOM 358 N TYR A 99 -11.116 -4.597 -2.428 1.00 0.00 N ATOM 359 CA TYR A 99 -10.920 -3.419 -1.583 1.00 0.00 C ATOM 360 C TYR A 99 -10.480 -3.823 -0.180 1.00 0.00 C ATOM 361 O TYR A 99 -10.738 -4.942 0.263 1.00 0.00 O ATOM 362 CB TYR A 99 -12.222 -2.623 -1.478 1.00 0.00 C ATOM 363 CG TYR A 99 -12.730 -2.278 -2.854 1.00 0.00 C ATOM 364 CD1 TYR A 99 -13.311 -3.273 -3.643 1.00 0.00 C ATOM 365 CD2 TYR A 99 -12.642 -0.965 -3.332 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.800 -2.964 -4.915 1.00 0.00 C ATOM 367 CE2 TYR A 99 -13.131 -0.653 -4.606 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.710 -1.653 -5.399 1.00 0.00 C ATOM 369 OH TYR A 99 -14.191 -1.346 -6.655 1.00 0.00 O ATOM 0 H TYR A 99 -11.614 -5.366 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.144 -2.806 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.971 -3.205 -0.941 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.055 -1.711 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -13.383 -4.284 -3.269 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.198 -0.195 -2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.247 -3.736 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -13.062 0.359 -4.978 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.051 -0.393 -6.835 1.00 0.00 H new ATOM 379 N ILE A 100 -9.856 -2.885 0.531 1.00 0.00 N ATOM 380 CA ILE A 100 -9.433 -3.127 1.906 1.00 0.00 C ATOM 381 C ILE A 100 -9.909 -1.946 2.745 1.00 0.00 C ATOM 382 O ILE A 100 -10.024 -0.833 2.233 1.00 0.00 O ATOM 383 CB ILE A 100 -7.899 -3.277 2.004 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.245 -1.942 2.369 1.00 0.00 C ATOM 385 CG2 ILE A 100 -7.336 -3.724 0.657 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.731 -2.052 2.177 1.00 0.00 C ATOM 0 H ILE A 100 -9.634 -1.954 0.178 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.865 -4.059 2.270 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.684 -4.016 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.646 -1.144 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.474 -1.682 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.254 -3.828 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.775 -4.682 0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.577 -2.981 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.262 -1.103 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.339 -2.839 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.513 -2.293 1.137 1.00 0.00 H new ATOM 398 N SER A 101 -10.206 -2.173 4.017 1.00 0.00 N ATOM 399 CA SER A 101 -10.685 -1.083 4.857 1.00 0.00 C ATOM 400 C SER A 101 -9.639 0.026 4.938 1.00 0.00 C ATOM 401 O SER A 101 -8.459 -0.236 5.137 1.00 0.00 O ATOM 402 CB SER A 101 -10.996 -1.601 6.261 1.00 0.00 C ATOM 403 OG SER A 101 -12.046 -2.556 6.188 1.00 0.00 O ATOM 0 H SER A 101 -10.127 -3.078 4.481 1.00 0.00 H new ATOM 0 HA SER A 101 -11.595 -0.678 4.413 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.107 -2.054 6.699 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.285 -0.775 6.910 1.00 0.00 H new ATOM 0 HG SER A 101 -12.246 -2.891 7.087 1.00 0.00 H new ATOM 409 N ALA A 102 -10.082 1.264 4.776 1.00 0.00 N ATOM 410 CA ALA A 102 -9.175 2.406 4.832 1.00 0.00 C ATOM 411 C ALA A 102 -8.577 2.579 6.230 1.00 0.00 C ATOM 412 O ALA A 102 -7.417 2.962 6.377 1.00 0.00 O ATOM 413 CB ALA A 102 -9.911 3.682 4.426 1.00 0.00 C ATOM 0 H ALA A 102 -11.058 1.505 4.605 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.359 2.216 4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.225 4.528 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.290 3.576 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.744 3.854 5.107 1.00 0.00 H new ATOM 419 N ALA A 103 -9.388 2.334 7.254 1.00 0.00 N ATOM 420 CA ALA A 103 -8.941 2.505 8.637 1.00 0.00 C ATOM 421 C ALA A 103 -7.755 1.604 8.985 1.00 0.00 C ATOM 422 O ALA A 103 -6.825 2.036 9.666 1.00 0.00 O ATOM 423 CB ALA A 103 -10.095 2.203 9.594 1.00 0.00 C ATOM 0 H ALA A 103 -10.353 2.018 7.156 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.615 3.540 8.742 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.758 2.332 10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.921 2.886 9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.430 1.176 9.448 1.00 0.00 H new ATOM 429 N GLU A 104 -7.792 0.353 8.539 1.00 0.00 N ATOM 430 CA GLU A 104 -6.708 -0.575 8.848 1.00 0.00 C ATOM 431 C GLU A 104 -5.436 -0.176 8.112 1.00 0.00 C ATOM 432 O GLU A 104 -4.329 -0.429 8.585 1.00 0.00 O ATOM 433 CB GLU A 104 -7.106 -2.001 8.466 1.00 0.00 C ATOM 434 CG GLU A 104 -6.745 -2.278 7.007 1.00 0.00 C ATOM 435 CD GLU A 104 -7.530 -3.483 6.499 1.00 0.00 C ATOM 436 OE1 GLU A 104 -7.980 -4.263 7.323 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.671 -3.607 5.294 1.00 0.00 O ATOM 0 H GLU A 104 -8.545 -0.038 7.973 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.518 -0.535 9.921 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.598 -2.714 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.177 -2.140 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.968 -1.404 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.675 -2.466 6.917 1.00 0.00 H new ATOM 444 N LEU A 105 -5.601 0.456 6.955 1.00 0.00 N ATOM 445 CA LEU A 105 -4.450 0.889 6.169 1.00 0.00 C ATOM 446 C LEU A 105 -3.619 1.881 6.972 1.00 0.00 C ATOM 447 O LEU A 105 -2.395 1.764 7.048 1.00 0.00 O ATOM 448 CB LEU A 105 -4.910 1.539 4.862 1.00 0.00 C ATOM 449 CG LEU A 105 -3.697 2.054 4.081 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.803 1.596 2.625 1.00 0.00 C ATOM 451 CD2 LEU A 105 -3.676 3.583 4.129 1.00 0.00 C ATOM 0 H LEU A 105 -6.508 0.678 6.544 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.841 0.016 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.461 0.816 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.592 2.362 5.075 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.782 1.661 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.942 1.960 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.826 0.507 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.717 1.994 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.814 3.953 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.590 3.974 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.609 3.914 5.166 1.00 0.00 H new ATOM 463 N ARG A 106 -4.289 2.867 7.561 1.00 0.00 N ATOM 464 CA ARG A 106 -3.592 3.880 8.341 1.00 0.00 C ATOM 465 C ARG A 106 -2.781 3.222 9.450 1.00 0.00 C ATOM 466 O ARG A 106 -1.593 3.501 9.604 1.00 0.00 O ATOM 467 CB ARG A 106 -4.607 4.852 8.953 1.00 0.00 C ATOM 468 CG ARG A 106 -3.878 5.887 9.817 1.00 0.00 C ATOM 469 CD ARG A 106 -4.019 5.528 11.299 1.00 0.00 C ATOM 470 NE ARG A 106 -3.345 6.523 12.126 1.00 0.00 N ATOM 471 CZ ARG A 106 -3.963 7.636 12.508 1.00 0.00 C ATOM 472 NH1 ARG A 106 -5.196 7.859 12.141 1.00 0.00 N ATOM 473 NH2 ARG A 106 -3.336 8.506 13.253 1.00 0.00 N ATOM 0 H ARG A 106 -5.301 2.985 7.514 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.916 4.428 7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.166 5.353 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.330 4.304 9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.824 5.924 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.290 6.880 9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.074 5.475 11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.593 4.542 11.484 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.381 6.361 12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.686 7.179 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.669 8.714 12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.373 8.331 13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.809 9.361 13.547 1.00 0.00 H new ATOM 487 N HIS A 107 -3.416 2.337 10.214 1.00 0.00 N ATOM 488 CA HIS A 107 -2.717 1.648 11.295 1.00 0.00 C ATOM 489 C HIS A 107 -1.570 0.817 10.735 1.00 0.00 C ATOM 490 O HIS A 107 -0.463 0.816 11.269 1.00 0.00 O ATOM 491 CB HIS A 107 -3.690 0.743 12.052 1.00 0.00 C ATOM 492 CG HIS A 107 -2.952 0.024 13.146 1.00 0.00 C ATOM 493 ND1 HIS A 107 -2.522 0.669 14.295 1.00 0.00 N ATOM 494 CD2 HIS A 107 -2.555 -1.282 13.277 1.00 0.00 C ATOM 495 CE1 HIS A 107 -1.897 -0.243 15.061 1.00 0.00 C ATOM 496 NE2 HIS A 107 -1.889 -1.449 14.488 1.00 0.00 N ATOM 0 H HIS A 107 -4.398 2.083 10.108 1.00 0.00 H new ATOM 0 HA HIS A 107 -2.312 2.392 11.981 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -4.502 1.335 12.474 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.142 0.024 11.369 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -2.655 1.655 14.519 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.732 -2.062 12.551 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.455 -0.026 16.022 1.00 0.00 H new ATOM 505 N VAL A 108 -1.857 0.112 9.649 1.00 0.00 N ATOM 506 CA VAL A 108 -0.870 -0.734 8.989 1.00 0.00 C ATOM 507 C VAL A 108 0.306 0.112 8.496 1.00 0.00 C ATOM 508 O VAL A 108 1.463 -0.301 8.584 1.00 0.00 O ATOM 509 CB VAL A 108 -1.548 -1.449 7.805 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.524 -2.190 6.935 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.567 -2.456 8.345 1.00 0.00 C ATOM 0 H VAL A 108 -2.774 0.109 9.203 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.485 -1.472 9.693 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.040 -0.697 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.037 -2.683 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.200 -1.478 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.007 -2.936 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.051 -2.966 7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.058 -3.188 8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.318 -1.932 8.936 1.00 0.00 H new ATOM 521 N MET A 109 -0.005 1.294 7.973 1.00 0.00 N ATOM 522 CA MET A 109 1.027 2.196 7.459 1.00 0.00 C ATOM 523 C MET A 109 1.805 2.869 8.585 1.00 0.00 C ATOM 524 O MET A 109 2.939 3.294 8.384 1.00 0.00 O ATOM 525 CB MET A 109 0.394 3.275 6.573 1.00 0.00 C ATOM 526 CG MET A 109 0.307 2.776 5.128 1.00 0.00 C ATOM 527 SD MET A 109 -0.182 1.033 5.111 1.00 0.00 S ATOM 528 CE MET A 109 0.202 0.705 3.375 1.00 0.00 C ATOM 0 H MET A 109 -0.957 1.651 7.893 1.00 0.00 H new ATOM 0 HA MET A 109 1.721 1.592 6.875 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.601 3.523 6.942 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.987 4.188 6.617 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.416 3.372 4.571 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.270 2.898 4.633 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.651 0.221 2.899 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.416 1.645 2.866 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.072 0.052 3.312 1.00 0.00 H new ATOM 538 N THR A 110 1.191 2.993 9.757 1.00 0.00 N ATOM 539 CA THR A 110 1.854 3.655 10.876 1.00 0.00 C ATOM 540 C THR A 110 2.335 2.660 11.938 1.00 0.00 C ATOM 541 O THR A 110 3.152 3.016 12.788 1.00 0.00 O ATOM 542 CB THR A 110 0.885 4.653 11.519 1.00 0.00 C ATOM 543 OG1 THR A 110 -0.226 3.954 12.060 1.00 0.00 O ATOM 544 CG2 THR A 110 0.399 5.651 10.472 1.00 0.00 C ATOM 0 H THR A 110 0.251 2.650 9.956 1.00 0.00 H new ATOM 0 HA THR A 110 2.732 4.168 10.483 1.00 0.00 H new ATOM 0 HB THR A 110 1.400 5.191 12.315 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.861 3.745 11.344 1.00 0.00 H new ATOM 0 HG21 THR A 110 -0.290 6.358 10.935 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.252 6.191 10.061 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.113 5.118 9.671 1.00 0.00 H new ATOM 552 N ASN A 111 1.810 1.433 11.913 1.00 0.00 N ATOM 553 CA ASN A 111 2.189 0.429 12.916 1.00 0.00 C ATOM 554 C ASN A 111 2.974 -0.744 12.321 1.00 0.00 C ATOM 555 O ASN A 111 4.022 -1.125 12.844 1.00 0.00 O ATOM 556 CB ASN A 111 0.922 -0.113 13.581 1.00 0.00 C ATOM 557 CG ASN A 111 1.273 -0.820 14.886 1.00 0.00 C ATOM 558 OD1 ASN A 111 2.180 -0.395 15.601 1.00 0.00 O ATOM 559 ND2 ASN A 111 0.603 -1.883 15.240 1.00 0.00 N ATOM 0 H ASN A 111 1.132 1.112 11.222 1.00 0.00 H new ATOM 0 HA ASN A 111 2.839 0.924 13.638 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.227 0.704 13.777 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.417 -0.806 12.908 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.831 -2.363 16.111 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.148 -2.234 14.646 1.00 0.00 H new ATOM 566 N LEU A 112 2.452 -1.334 11.252 1.00 0.00 N ATOM 567 CA LEU A 112 3.104 -2.486 10.627 1.00 0.00 C ATOM 568 C LEU A 112 4.145 -2.048 9.602 1.00 0.00 C ATOM 569 O LEU A 112 4.052 -0.960 9.036 1.00 0.00 O ATOM 570 CB LEU A 112 2.061 -3.354 9.925 1.00 0.00 C ATOM 571 CG LEU A 112 0.985 -3.801 10.916 1.00 0.00 C ATOM 572 CD1 LEU A 112 -0.071 -4.624 10.174 1.00 0.00 C ATOM 573 CD2 LEU A 112 1.611 -4.662 12.016 1.00 0.00 C ATOM 0 H LEU A 112 1.586 -1.039 10.800 1.00 0.00 H new ATOM 0 HA LEU A 112 3.602 -3.052 11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.603 -2.795 9.109 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.542 -4.226 9.483 1.00 0.00 H new ATOM 0 HG LEU A 112 0.525 -2.922 11.367 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.841 -4.945 10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.524 -4.014 9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.399 -5.499 9.725 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.837 -4.976 12.717 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.075 -5.542 11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.367 -4.082 12.546 1.00 0.00 H new ATOM 585 N GLY A 113 5.126 -2.916 9.352 1.00 0.00 N ATOM 586 CA GLY A 113 6.164 -2.616 8.372 1.00 0.00 C ATOM 587 C GLY A 113 6.974 -1.392 8.771 1.00 0.00 C ATOM 588 O GLY A 113 7.719 -1.410 9.750 1.00 0.00 O ATOM 0 H GLY A 113 5.222 -3.822 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.828 -3.475 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.707 -2.448 7.397 1.00 0.00 H new ATOM 592 N GLU A 114 6.798 -0.326 8.008 1.00 0.00 N ATOM 593 CA GLU A 114 7.481 0.926 8.272 1.00 0.00 C ATOM 594 C GLU A 114 6.542 1.869 9.000 1.00 0.00 C ATOM 595 O GLU A 114 5.335 1.636 9.041 1.00 0.00 O ATOM 596 CB GLU A 114 7.941 1.567 6.963 1.00 0.00 C ATOM 597 CG GLU A 114 8.890 0.614 6.245 1.00 0.00 C ATOM 598 CD GLU A 114 10.189 0.478 7.032 1.00 0.00 C ATOM 599 OE1 GLU A 114 10.444 1.331 7.867 1.00 0.00 O ATOM 600 OE2 GLU A 114 10.909 -0.476 6.789 1.00 0.00 O ATOM 0 H GLU A 114 6.182 -0.305 7.195 1.00 0.00 H new ATOM 0 HA GLU A 114 8.356 0.729 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.081 1.788 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.441 2.514 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.420 -0.363 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.100 0.985 5.242 1.00 0.00 H new ATOM 607 N LYS A 115 7.092 2.940 9.553 1.00 0.00 N ATOM 608 CA LYS A 115 6.276 3.917 10.254 1.00 0.00 C ATOM 609 C LYS A 115 6.204 5.203 9.445 1.00 0.00 C ATOM 610 O LYS A 115 7.155 5.983 9.407 1.00 0.00 O ATOM 611 CB LYS A 115 6.852 4.197 11.643 1.00 0.00 C ATOM 612 CG LYS A 115 6.885 2.889 12.443 1.00 0.00 C ATOM 613 CD LYS A 115 7.333 3.150 13.888 1.00 0.00 C ATOM 614 CE LYS A 115 6.158 3.673 14.726 1.00 0.00 C ATOM 615 NZ LYS A 115 6.569 3.753 16.157 1.00 0.00 N ATOM 0 H LYS A 115 8.089 3.152 9.530 1.00 0.00 H new ATOM 0 HA LYS A 115 5.270 3.515 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.857 4.611 11.557 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.244 4.939 12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.896 2.430 12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.566 2.183 11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.720 2.231 14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.146 3.875 13.898 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.851 4.656 14.369 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.298 3.012 14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.775 4.107 16.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.842 2.807 16.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.378 4.400 16.250 1.00 0.00 H new ATOM 629 N LEU A 116 5.058 5.423 8.812 1.00 0.00 N ATOM 630 CA LEU A 116 4.863 6.627 8.021 1.00 0.00 C ATOM 631 C LEU A 116 4.372 7.741 8.940 1.00 0.00 C ATOM 632 O LEU A 116 3.710 7.472 9.943 1.00 0.00 O ATOM 633 CB LEU A 116 3.834 6.392 6.898 1.00 0.00 C ATOM 634 CG LEU A 116 4.469 5.684 5.685 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.528 6.579 5.032 1.00 0.00 C ATOM 636 CD2 LEU A 116 5.131 4.378 6.128 1.00 0.00 C ATOM 0 H LEU A 116 4.259 4.790 8.831 1.00 0.00 H new ATOM 0 HA LEU A 116 5.810 6.904 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.009 5.791 7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.414 7.347 6.583 1.00 0.00 H new ATOM 0 HG LEU A 116 3.680 5.474 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.965 6.062 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.064 7.506 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.310 6.806 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.577 3.885 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.907 4.594 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.382 3.723 6.573 1.00 0.00 H new ATOM 648 N THR A 117 4.677 8.986 8.602 1.00 0.00 N ATOM 649 CA THR A 117 4.234 10.108 9.420 1.00 0.00 C ATOM 650 C THR A 117 2.846 10.560 8.977 1.00 0.00 C ATOM 651 O THR A 117 2.345 10.119 7.944 1.00 0.00 O ATOM 652 CB THR A 117 5.222 11.271 9.311 1.00 0.00 C ATOM 653 OG1 THR A 117 5.253 11.739 7.973 1.00 0.00 O ATOM 654 CG2 THR A 117 6.618 10.798 9.721 1.00 0.00 C ATOM 0 H THR A 117 5.222 9.244 7.779 1.00 0.00 H new ATOM 0 HA THR A 117 4.189 9.785 10.460 1.00 0.00 H new ATOM 0 HB THR A 117 4.907 12.079 9.971 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.538 12.676 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.321 11.628 9.643 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.593 10.439 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 117 6.936 9.990 9.063 1.00 0.00 H new ATOM 662 N ASP A 118 2.225 11.435 9.758 1.00 0.00 N ATOM 663 CA ASP A 118 0.894 11.920 9.419 1.00 0.00 C ATOM 664 C ASP A 118 0.892 12.551 8.030 1.00 0.00 C ATOM 665 O ASP A 118 -0.040 12.355 7.250 1.00 0.00 O ATOM 666 CB ASP A 118 0.432 12.948 10.453 1.00 0.00 C ATOM 667 CG ASP A 118 1.436 14.094 10.547 1.00 0.00 C ATOM 668 OD1 ASP A 118 2.504 13.970 9.973 1.00 0.00 O ATOM 669 OD2 ASP A 118 1.120 15.079 11.194 1.00 0.00 O ATOM 0 H ASP A 118 2.615 11.819 10.619 1.00 0.00 H new ATOM 0 HA ASP A 118 0.207 11.073 9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.548 13.336 10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.323 12.470 11.427 1.00 0.00 H new ATOM 674 N GLU A 119 1.939 13.305 7.728 1.00 0.00 N ATOM 675 CA GLU A 119 2.046 13.957 6.428 1.00 0.00 C ATOM 676 C GLU A 119 2.108 12.919 5.309 1.00 0.00 C ATOM 677 O GLU A 119 1.468 13.078 4.273 1.00 0.00 O ATOM 678 CB GLU A 119 3.296 14.837 6.383 1.00 0.00 C ATOM 679 CG GLU A 119 3.102 16.052 7.293 1.00 0.00 C ATOM 680 CD GLU A 119 4.401 16.845 7.387 1.00 0.00 C ATOM 681 OE1 GLU A 119 5.417 16.333 6.949 1.00 0.00 O ATOM 682 OE2 GLU A 119 4.360 17.954 7.896 1.00 0.00 O ATOM 0 H GLU A 119 2.721 13.481 8.359 1.00 0.00 H new ATOM 0 HA GLU A 119 1.162 14.578 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.167 14.265 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.487 15.163 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.306 16.686 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.792 15.727 8.286 1.00 0.00 H new ATOM 689 N GLU A 120 2.858 11.843 5.534 1.00 0.00 N ATOM 690 CA GLU A 120 2.961 10.780 4.543 1.00 0.00 C ATOM 691 C GLU A 120 1.662 9.990 4.455 1.00 0.00 C ATOM 692 O GLU A 120 1.206 9.643 3.367 1.00 0.00 O ATOM 693 CB GLU A 120 4.101 9.835 4.905 1.00 0.00 C ATOM 694 CG GLU A 120 5.437 10.441 4.465 1.00 0.00 C ATOM 695 CD GLU A 120 5.421 11.957 4.630 1.00 0.00 C ATOM 696 OE1 GLU A 120 5.197 12.412 5.736 1.00 0.00 O ATOM 697 OE2 GLU A 120 5.635 12.642 3.643 1.00 0.00 O ATOM 0 H GLU A 120 3.398 11.686 6.385 1.00 0.00 H new ATOM 0 HA GLU A 120 3.159 11.240 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.109 9.655 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.952 8.869 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.248 10.014 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.633 10.185 3.424 1.00 0.00 H new ATOM 704 N VAL A 121 1.066 9.714 5.612 1.00 0.00 N ATOM 705 CA VAL A 121 -0.185 8.969 5.664 1.00 0.00 C ATOM 706 C VAL A 121 -1.297 9.759 4.972 1.00 0.00 C ATOM 707 O VAL A 121 -2.097 9.200 4.227 1.00 0.00 O ATOM 708 CB VAL A 121 -0.555 8.693 7.128 1.00 0.00 C ATOM 709 CG1 VAL A 121 -1.968 8.129 7.210 1.00 0.00 C ATOM 710 CG2 VAL A 121 0.423 7.676 7.722 1.00 0.00 C ATOM 0 H VAL A 121 1.429 9.995 6.523 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.063 8.020 5.143 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.503 9.627 7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.223 7.936 8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.672 8.849 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.022 7.198 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.159 7.481 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.371 6.747 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.436 8.075 7.674 1.00 0.00 H new ATOM 720 N ASP A 122 -1.345 11.064 5.216 1.00 0.00 N ATOM 721 CA ASP A 122 -2.369 11.899 4.595 1.00 0.00 C ATOM 722 C ASP A 122 -2.236 11.838 3.075 1.00 0.00 C ATOM 723 O ASP A 122 -3.233 11.756 2.359 1.00 0.00 O ATOM 724 CB ASP A 122 -2.224 13.346 5.071 1.00 0.00 C ATOM 725 CG ASP A 122 -2.660 13.461 6.528 1.00 0.00 C ATOM 726 OD1 ASP A 122 -3.268 12.525 7.020 1.00 0.00 O ATOM 727 OD2 ASP A 122 -2.379 14.484 7.130 1.00 0.00 O ATOM 0 H ASP A 122 -0.699 11.561 5.829 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.352 11.527 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.189 13.670 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.829 14.005 4.448 1.00 0.00 H new ATOM 732 N GLU A 123 -0.996 11.849 2.591 1.00 0.00 N ATOM 733 CA GLU A 123 -0.745 11.761 1.155 1.00 0.00 C ATOM 734 C GLU A 123 -1.273 10.440 0.625 1.00 0.00 C ATOM 735 O GLU A 123 -1.860 10.370 -0.454 1.00 0.00 O ATOM 736 CB GLU A 123 0.759 11.826 0.882 1.00 0.00 C ATOM 737 CG GLU A 123 1.277 13.241 1.109 1.00 0.00 C ATOM 738 CD GLU A 123 2.801 13.251 1.073 1.00 0.00 C ATOM 739 OE1 GLU A 123 3.384 12.183 1.159 1.00 0.00 O ATOM 740 OE2 GLU A 123 3.365 14.328 0.962 1.00 0.00 O ATOM 0 H GLU A 123 -0.156 11.917 3.166 1.00 0.00 H new ATOM 0 HA GLU A 123 -1.247 12.593 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.285 11.130 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.963 11.517 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.883 13.909 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.925 13.616 2.070 1.00 0.00 H new ATOM 747 N MET A 124 -1.051 9.397 1.408 1.00 0.00 N ATOM 748 CA MET A 124 -1.490 8.061 1.048 1.00 0.00 C ATOM 749 C MET A 124 -3.014 8.005 0.995 1.00 0.00 C ATOM 750 O MET A 124 -3.590 7.405 0.093 1.00 0.00 O ATOM 751 CB MET A 124 -0.966 7.087 2.101 1.00 0.00 C ATOM 752 CG MET A 124 0.560 7.031 2.009 1.00 0.00 C ATOM 753 SD MET A 124 1.041 5.793 0.788 1.00 0.00 S ATOM 754 CE MET A 124 0.867 4.363 1.881 1.00 0.00 C ATOM 0 H MET A 124 -0.566 9.452 2.303 1.00 0.00 H new ATOM 0 HA MET A 124 -1.105 7.793 0.064 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.272 7.408 3.097 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.390 6.096 1.941 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.955 8.007 1.728 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.985 6.783 2.982 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.850 4.054 2.236 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.242 4.630 2.733 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.404 3.541 1.334 1.00 0.00 H new ATOM 764 N ILE A 125 -3.655 8.648 1.968 1.00 0.00 N ATOM 765 CA ILE A 125 -5.114 8.672 2.032 1.00 0.00 C ATOM 766 C ILE A 125 -5.696 9.428 0.839 1.00 0.00 C ATOM 767 O ILE A 125 -6.727 9.038 0.291 1.00 0.00 O ATOM 768 CB ILE A 125 -5.561 9.305 3.361 1.00 0.00 C ATOM 769 CG1 ILE A 125 -5.888 8.211 4.394 1.00 0.00 C ATOM 770 CG2 ILE A 125 -6.787 10.201 3.163 1.00 0.00 C ATOM 771 CD1 ILE A 125 -4.588 7.600 4.914 1.00 0.00 C ATOM 0 H ILE A 125 -3.190 9.157 2.720 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.490 7.650 1.987 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.737 9.917 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.460 8.634 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.509 7.439 3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.079 10.634 4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.545 11.000 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.611 9.608 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -4.817 6.825 5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.034 7.162 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.984 8.376 5.384 1.00 0.00 H new ATOM 783 N ARG A 126 -5.027 10.497 0.435 1.00 0.00 N ATOM 784 CA ARG A 126 -5.481 11.287 -0.703 1.00 0.00 C ATOM 785 C ARG A 126 -5.525 10.420 -1.957 1.00 0.00 C ATOM 786 O ARG A 126 -6.377 10.602 -2.825 1.00 0.00 O ATOM 787 CB ARG A 126 -4.548 12.478 -0.934 1.00 0.00 C ATOM 788 CG ARG A 126 -5.075 13.316 -2.101 1.00 0.00 C ATOM 789 CD ARG A 126 -4.257 14.601 -2.222 1.00 0.00 C ATOM 790 NE ARG A 126 -4.496 15.463 -1.070 1.00 0.00 N ATOM 791 CZ ARG A 126 -3.855 16.619 -0.932 1.00 0.00 C ATOM 792 NH1 ARG A 126 -3.001 17.004 -1.841 1.00 0.00 N ATOM 793 NH2 ARG A 126 -4.083 17.371 0.110 1.00 0.00 N ATOM 0 H ARG A 126 -4.172 10.838 0.875 1.00 0.00 H new ATOM 0 HA ARG A 126 -6.482 11.660 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.488 13.087 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.539 12.127 -1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.014 12.746 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -6.126 13.556 -1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.196 14.360 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.525 15.126 -3.139 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.167 15.174 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.826 16.418 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.509 17.891 -1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -4.753 17.071 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.591 18.258 0.216 1.00 0.00 H new ATOM 807 N GLU A 127 -4.600 9.471 -2.030 1.00 0.00 N ATOM 808 CA GLU A 127 -4.535 8.562 -3.169 1.00 0.00 C ATOM 809 C GLU A 127 -5.271 7.255 -2.869 1.00 0.00 C ATOM 810 O GLU A 127 -5.498 6.443 -3.766 1.00 0.00 O ATOM 811 CB GLU A 127 -3.072 8.273 -3.514 1.00 0.00 C ATOM 812 CG GLU A 127 -2.377 9.580 -3.905 1.00 0.00 C ATOM 813 CD GLU A 127 -0.912 9.316 -4.240 1.00 0.00 C ATOM 814 OE1 GLU A 127 -0.215 8.793 -3.386 1.00 0.00 O ATOM 815 OE2 GLU A 127 -0.510 9.640 -5.345 1.00 0.00 O ATOM 0 H GLU A 127 -3.887 9.311 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.022 9.038 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -2.567 7.821 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -3.014 7.557 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.880 10.025 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.447 10.297 -3.087 1.00 0.00 H new ATOM 822 N ALA A 128 -5.631 7.050 -1.602 1.00 0.00 N ATOM 823 CA ALA A 128 -6.328 5.825 -1.208 1.00 0.00 C ATOM 824 C ALA A 128 -7.808 5.882 -1.582 1.00 0.00 C ATOM 825 O ALA A 128 -8.250 5.139 -2.456 1.00 0.00 O ATOM 826 CB ALA A 128 -6.192 5.596 0.297 1.00 0.00 C ATOM 0 H ALA A 128 -5.455 7.705 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.867 4.997 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.716 4.681 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.138 5.504 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.626 6.440 0.834 1.00 0.00 H new ATOM 832 N ASP A 129 -8.569 6.764 -0.925 1.00 0.00 N ATOM 833 CA ASP A 129 -10.002 6.893 -1.218 1.00 0.00 C ATOM 834 C ASP A 129 -10.748 7.646 -0.113 1.00 0.00 C ATOM 835 O ASP A 129 -10.904 8.865 -0.168 1.00 0.00 O ATOM 836 CB ASP A 129 -10.645 5.506 -1.398 1.00 0.00 C ATOM 837 CG ASP A 129 -10.788 5.179 -2.883 1.00 0.00 C ATOM 838 OD1 ASP A 129 -11.268 6.029 -3.615 1.00 0.00 O ATOM 839 OD2 ASP A 129 -10.416 4.081 -3.264 1.00 0.00 O ATOM 0 H ASP A 129 -8.224 7.391 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.084 7.464 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.034 4.748 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -11.623 5.486 -0.918 1.00 0.00 H new ATOM 844 N ILE A 130 -11.242 6.890 0.859 1.00 0.00 N ATOM 845 CA ILE A 130 -12.021 7.442 1.959 1.00 0.00 C ATOM 846 C ILE A 130 -12.934 8.556 1.467 1.00 0.00 C ATOM 847 O ILE A 130 -13.751 8.350 0.570 1.00 0.00 O ATOM 848 CB ILE A 130 -11.131 7.972 3.083 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.174 6.877 3.535 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.011 8.364 4.276 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.182 7.454 4.545 1.00 0.00 C ATOM 0 H ILE A 130 -11.114 5.879 0.907 1.00 0.00 H new ATOM 0 HA ILE A 130 -12.624 6.627 2.359 1.00 0.00 H new ATOM 0 HB ILE A 130 -10.570 8.834 2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.731 6.055 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -9.640 6.469 2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -11.383 8.743 5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -12.715 9.138 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.561 7.490 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.496 6.671 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -8.617 8.261 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.725 7.841 5.407 1.00 0.00 H new ATOM 894 N GLY A 134 -15.041 4.882 3.065 1.00 0.00 N ATOM 895 CA GLY A 134 -14.672 4.054 4.206 1.00 0.00 C ATOM 896 C GLY A 134 -13.778 2.885 3.788 1.00 0.00 C ATOM 897 O GLY A 134 -13.194 2.214 4.640 1.00 0.00 O ATOM 0 HA2 GLY A 134 -14.153 4.663 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -15.573 3.671 4.685 1.00 0.00 H new ATOM 901 N GLN A 135 -13.684 2.638 2.479 1.00 0.00 N ATOM 902 CA GLN A 135 -12.864 1.533 1.976 1.00 0.00 C ATOM 903 C GLN A 135 -11.788 2.044 1.029 1.00 0.00 C ATOM 904 O GLN A 135 -11.815 3.200 0.607 1.00 0.00 O ATOM 905 CB GLN A 135 -13.730 0.517 1.232 1.00 0.00 C ATOM 906 CG GLN A 135 -15.192 0.684 1.641 1.00 0.00 C ATOM 907 CD GLN A 135 -16.043 -0.402 0.991 1.00 0.00 C ATOM 908 OE1 GLN A 135 -15.889 -1.583 1.304 1.00 0.00 O ATOM 909 NE2 GLN A 135 -16.938 -0.071 0.101 1.00 0.00 N ATOM 0 H GLN A 135 -14.158 3.180 1.757 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.393 1.056 2.836 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.626 0.656 0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -13.393 -0.495 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.283 0.628 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -15.552 1.668 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -17.064 0.908 -0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -17.512 -0.791 -0.337 1.00 0.00 H new ATOM 918 N VAL A 136 -10.842 1.170 0.696 1.00 0.00 N ATOM 919 CA VAL A 136 -9.756 1.529 -0.204 1.00 0.00 C ATOM 920 C VAL A 136 -9.521 0.456 -1.257 1.00 0.00 C ATOM 921 O VAL A 136 -9.435 -0.731 -0.941 1.00 0.00 O ATOM 922 CB VAL A 136 -8.478 1.747 0.597 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.280 1.823 -0.351 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.603 3.056 1.370 1.00 0.00 C ATOM 0 H VAL A 136 -10.808 0.209 1.037 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.037 2.448 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.329 0.918 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.369 1.979 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.200 0.892 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.417 2.653 -1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.695 3.225 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.746 3.879 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.457 3.000 2.044 1.00 0.00 H new ATOM 934 N ASN A 137 -9.391 0.885 -2.507 1.00 0.00 N ATOM 935 CA ASN A 137 -9.133 -0.043 -3.596 1.00 0.00 C ATOM 936 C ASN A 137 -7.630 -0.126 -3.850 1.00 0.00 C ATOM 937 O ASN A 137 -7.035 0.810 -4.385 1.00 0.00 O ATOM 938 CB ASN A 137 -9.840 0.422 -4.870 1.00 0.00 C ATOM 939 CG ASN A 137 -10.448 1.804 -4.657 1.00 0.00 C ATOM 940 OD1 ASN A 137 -11.406 1.952 -3.900 1.00 0.00 O ATOM 941 ND2 ASN A 137 -9.947 2.831 -5.288 1.00 0.00 N ATOM 0 H ASN A 137 -9.460 1.863 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.515 -1.026 -3.319 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -9.132 0.451 -5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -10.620 -0.289 -5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -10.350 3.758 -5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.152 2.706 -5.915 1.00 0.00 H new ATOM 948 N TYR A 138 -7.014 -1.234 -3.452 1.00 0.00 N ATOM 949 CA TYR A 138 -5.576 -1.394 -3.636 1.00 0.00 C ATOM 950 C TYR A 138 -5.198 -1.372 -5.114 1.00 0.00 C ATOM 951 O TYR A 138 -4.024 -1.245 -5.456 1.00 0.00 O ATOM 952 CB TYR A 138 -5.088 -2.699 -3.001 1.00 0.00 C ATOM 953 CG TYR A 138 -5.819 -3.879 -3.598 1.00 0.00 C ATOM 954 CD1 TYR A 138 -5.402 -4.419 -4.820 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.912 -4.437 -2.924 1.00 0.00 C ATOM 956 CE1 TYR A 138 -6.078 -5.517 -5.367 1.00 0.00 C ATOM 957 CE2 TYR A 138 -7.586 -5.535 -3.469 1.00 0.00 C ATOM 958 CZ TYR A 138 -7.170 -6.076 -4.692 1.00 0.00 C ATOM 959 OH TYR A 138 -7.833 -7.160 -5.230 1.00 0.00 O ATOM 0 H TYR A 138 -7.480 -2.024 -3.006 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.091 -0.552 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -4.015 -2.809 -3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.250 -2.670 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.559 -3.989 -5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.235 -4.019 -1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.757 -5.933 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -8.427 -5.966 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 138 -8.283 -7.656 -4.515 1.00 0.00 H new ATOM 969 N GLU A 139 -6.189 -1.507 -5.988 1.00 0.00 N ATOM 970 CA GLU A 139 -5.909 -1.512 -7.420 1.00 0.00 C ATOM 971 C GLU A 139 -5.221 -0.210 -7.834 1.00 0.00 C ATOM 972 O GLU A 139 -4.194 -0.236 -8.511 1.00 0.00 O ATOM 973 CB GLU A 139 -7.214 -1.680 -8.203 1.00 0.00 C ATOM 974 CG GLU A 139 -6.918 -1.727 -9.706 1.00 0.00 C ATOM 975 CD GLU A 139 -8.208 -1.972 -10.482 1.00 0.00 C ATOM 976 OE1 GLU A 139 -9.244 -2.092 -9.850 1.00 0.00 O ATOM 977 OE2 GLU A 139 -8.141 -2.036 -11.699 1.00 0.00 O ATOM 0 H GLU A 139 -7.173 -1.612 -5.739 1.00 0.00 H new ATOM 0 HA GLU A 139 -5.243 -2.346 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.718 -2.596 -7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.890 -0.854 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.464 -0.789 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.199 -2.518 -9.919 1.00 0.00 H new ATOM 984 N GLU A 140 -5.789 0.924 -7.434 1.00 0.00 N ATOM 985 CA GLU A 140 -5.212 2.219 -7.789 1.00 0.00 C ATOM 986 C GLU A 140 -3.803 2.348 -7.219 1.00 0.00 C ATOM 987 O GLU A 140 -2.892 2.815 -7.900 1.00 0.00 O ATOM 988 CB GLU A 140 -6.102 3.349 -7.253 1.00 0.00 C ATOM 989 CG GLU A 140 -5.529 4.716 -7.649 1.00 0.00 C ATOM 990 CD GLU A 140 -5.513 4.859 -9.169 1.00 0.00 C ATOM 991 OE1 GLU A 140 -6.255 4.142 -9.819 1.00 0.00 O ATOM 992 OE2 GLU A 140 -4.757 5.682 -9.658 1.00 0.00 O ATOM 0 H GLU A 140 -6.638 0.975 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 140 -5.155 2.293 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -7.112 3.243 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -6.175 3.279 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -6.129 5.512 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.518 4.823 -7.255 1.00 0.00 H new ATOM 999 N PHE A 141 -3.629 1.916 -5.976 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.314 1.978 -5.347 1.00 0.00 C ATOM 1001 C PHE A 141 -1.319 1.167 -6.157 1.00 0.00 C ATOM 1002 O PHE A 141 -0.235 1.640 -6.473 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.375 1.413 -3.924 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.445 2.530 -2.908 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.389 3.443 -2.810 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.543 2.637 -2.044 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.427 4.459 -1.851 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.582 3.657 -1.086 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.523 4.566 -0.989 1.00 0.00 C ATOM 0 H PHE A 141 -4.368 1.525 -5.391 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.999 3.021 -5.307 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.246 0.766 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.496 0.797 -3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.543 3.362 -3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.359 1.933 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.610 5.161 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.429 3.742 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.552 5.351 -0.248 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.695 -0.052 -6.503 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.817 -0.906 -7.283 1.00 0.00 C ATOM 1021 C VAL A 142 -0.556 -0.286 -8.652 1.00 0.00 C ATOM 1022 O VAL A 142 0.579 -0.264 -9.120 1.00 0.00 O ATOM 1023 CB VAL A 142 -1.435 -2.296 -7.424 1.00 0.00 C ATOM 1024 CG1 VAL A 142 -0.606 -3.127 -8.404 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -1.463 -2.989 -6.053 1.00 0.00 C ATOM 0 H VAL A 142 -2.593 -0.469 -6.259 1.00 0.00 H new ATOM 0 HA VAL A 142 0.138 -1.003 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.453 -2.203 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.047 -4.119 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.593 -2.636 -9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.414 -3.220 -8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.904 -3.980 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -0.446 -3.082 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.059 -2.397 -5.358 1.00 0.00 H new ATOM 1035 N GLN A 143 -1.600 0.241 -9.284 1.00 0.00 N ATOM 1036 CA GLN A 143 -1.423 0.877 -10.583 1.00 0.00 C ATOM 1037 C GLN A 143 -0.465 2.053 -10.424 1.00 0.00 C ATOM 1038 O GLN A 143 0.424 2.271 -11.248 1.00 0.00 O ATOM 1039 CB GLN A 143 -2.771 1.370 -11.118 1.00 0.00 C ATOM 1040 CG GLN A 143 -2.601 1.906 -12.544 1.00 0.00 C ATOM 1041 CD GLN A 143 -2.201 0.778 -13.489 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -1.095 0.782 -14.029 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -3.041 -0.193 -13.723 1.00 0.00 N ATOM 0 H GLN A 143 -2.556 0.241 -8.928 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.014 0.157 -11.292 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.495 0.555 -11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -3.165 2.153 -10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -3.532 2.360 -12.883 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.842 2.688 -12.558 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.957 -0.194 -13.274 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -2.781 -0.951 -14.355 1.00 0.00 H new ATOM 1052 N MET A 144 -0.652 2.790 -9.334 1.00 0.00 N ATOM 1053 CA MET A 144 0.191 3.936 -9.017 1.00 0.00 C ATOM 1054 C MET A 144 1.625 3.482 -8.719 1.00 0.00 C ATOM 1055 O MET A 144 2.584 4.035 -9.256 1.00 0.00 O ATOM 1056 CB MET A 144 -0.433 4.680 -7.819 1.00 0.00 C ATOM 1057 CG MET A 144 0.632 5.371 -6.964 1.00 0.00 C ATOM 1058 SD MET A 144 -0.112 6.773 -6.086 1.00 0.00 S ATOM 1059 CE MET A 144 -0.554 5.905 -4.561 1.00 0.00 C ATOM 0 H MET A 144 -1.387 2.611 -8.650 1.00 0.00 H new ATOM 0 HA MET A 144 0.245 4.614 -9.869 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.145 5.421 -8.182 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.992 3.975 -7.204 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.055 4.664 -6.250 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.452 5.716 -7.594 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.834 6.631 -3.798 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.394 5.237 -4.753 1.00 0.00 H new ATOM 0 HE3 MET A 144 0.300 5.324 -4.213 1.00 0.00 H new ATOM 1069 N MET A 145 1.761 2.485 -7.852 1.00 0.00 N ATOM 1070 CA MET A 145 3.075 1.966 -7.468 1.00 0.00 C ATOM 1071 C MET A 145 3.823 1.322 -8.631 1.00 0.00 C ATOM 1072 O MET A 145 5.048 1.416 -8.704 1.00 0.00 O ATOM 1073 CB MET A 145 2.924 0.934 -6.351 1.00 0.00 C ATOM 1074 CG MET A 145 2.512 1.630 -5.057 1.00 0.00 C ATOM 1075 SD MET A 145 2.295 0.385 -3.765 1.00 0.00 S ATOM 1076 CE MET A 145 1.579 1.479 -2.520 1.00 0.00 C ATOM 0 H MET A 145 0.977 2.017 -7.399 1.00 0.00 H new ATOM 0 HA MET A 145 3.658 2.822 -7.129 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.177 0.191 -6.629 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.864 0.402 -6.205 1.00 0.00 H new ATOM 0 HG2 MET A 145 3.272 2.353 -4.760 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.585 2.184 -5.206 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.152 1.403 -1.596 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.606 2.507 -2.880 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.546 1.188 -2.331 1.00 0.00 H new ATOM 1214 N ASP B 35 0.345 -11.589 13.971 1.00 0.00 N ATOM 1215 CA ASP B 35 1.249 -12.603 14.506 1.00 0.00 C ATOM 1216 C ASP B 35 2.003 -13.298 13.377 1.00 0.00 C ATOM 1217 O ASP B 35 2.950 -14.045 13.619 1.00 0.00 O ATOM 1218 CB ASP B 35 0.464 -13.639 15.314 1.00 0.00 C ATOM 1219 CG ASP B 35 -0.045 -13.016 16.610 1.00 0.00 C ATOM 1220 OD1 ASP B 35 0.426 -11.945 16.953 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -0.896 -13.621 17.241 1.00 0.00 O ATOM 0 HA ASP B 35 1.968 -12.109 15.159 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -0.375 -14.011 14.726 1.00 0.00 H new ATOM 0 HB3 ASP B 35 1.100 -14.495 15.538 1.00 0.00 H new ATOM 1226 N ALA B 36 1.570 -13.054 12.144 1.00 0.00 N ATOM 1227 CA ALA B 36 2.207 -13.667 10.982 1.00 0.00 C ATOM 1228 C ALA B 36 3.280 -12.736 10.389 1.00 0.00 C ATOM 1229 O ALA B 36 2.940 -11.693 9.833 1.00 0.00 O ATOM 1230 CB ALA B 36 1.147 -13.941 9.914 1.00 0.00 C ATOM 0 H ALA B 36 0.786 -12.440 11.924 1.00 0.00 H new ATOM 0 HA ALA B 36 2.682 -14.596 11.298 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.617 -14.399 9.044 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.392 -14.616 10.316 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.676 -13.003 9.620 1.00 0.00 H new ATOM 1236 N PRO B 37 4.554 -13.078 10.468 1.00 0.00 N ATOM 1237 CA PRO B 37 5.640 -12.226 9.888 1.00 0.00 C ATOM 1238 C PRO B 37 5.376 -11.882 8.424 1.00 0.00 C ATOM 1239 O PRO B 37 5.885 -10.888 7.906 1.00 0.00 O ATOM 1240 CB PRO B 37 6.893 -13.095 10.013 1.00 0.00 C ATOM 1241 CG PRO B 37 6.616 -14.005 11.155 1.00 0.00 C ATOM 1242 CD PRO B 37 5.117 -14.283 11.117 1.00 0.00 C ATOM 0 HA PRO B 37 5.723 -11.269 10.402 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.078 -13.656 9.097 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.778 -12.487 10.198 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.187 -14.929 11.065 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.903 -13.544 12.100 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.891 -15.186 10.550 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.711 -14.426 12.118 1.00 0.00 H new ATOM 1250 N GLU B 38 4.584 -12.719 7.761 1.00 0.00 N ATOM 1251 CA GLU B 38 4.262 -12.507 6.355 1.00 0.00 C ATOM 1252 C GLU B 38 3.559 -11.166 6.168 1.00 0.00 C ATOM 1253 O GLU B 38 3.791 -10.467 5.182 1.00 0.00 O ATOM 1254 CB GLU B 38 3.356 -13.633 5.848 1.00 0.00 C ATOM 1255 CG GLU B 38 4.138 -14.953 5.775 1.00 0.00 C ATOM 1256 CD GLU B 38 4.230 -15.594 7.159 1.00 0.00 C ATOM 1257 OE1 GLU B 38 3.640 -15.060 8.083 1.00 0.00 O ATOM 1258 OE2 GLU B 38 4.892 -16.612 7.272 1.00 0.00 O ATOM 0 H GLU B 38 4.155 -13.547 8.173 1.00 0.00 H new ATOM 0 HA GLU B 38 5.191 -12.505 5.784 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.499 -13.746 6.512 1.00 0.00 H new ATOM 0 HB3 GLU B 38 2.965 -13.379 4.863 1.00 0.00 H new ATOM 0 HG2 GLU B 38 3.647 -15.636 5.082 1.00 0.00 H new ATOM 0 HG3 GLU B 38 5.139 -14.769 5.385 1.00 0.00 H new ATOM 1265 N THR B 39 2.699 -10.812 7.117 1.00 0.00 N ATOM 1266 CA THR B 39 1.972 -9.552 7.039 1.00 0.00 C ATOM 1267 C THR B 39 2.952 -8.381 7.019 1.00 0.00 C ATOM 1268 O THR B 39 2.767 -7.421 6.269 1.00 0.00 O ATOM 1269 CB THR B 39 1.023 -9.412 8.234 1.00 0.00 C ATOM 1270 OG1 THR B 39 0.095 -10.488 8.222 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.265 -8.087 8.135 1.00 0.00 C ATOM 0 H THR B 39 2.490 -11.375 7.942 1.00 0.00 H new ATOM 0 HA THR B 39 1.387 -9.544 6.119 1.00 0.00 H new ATOM 0 HB THR B 39 1.598 -9.431 9.160 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.513 -10.404 8.986 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.409 -7.989 8.986 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.975 -7.260 8.138 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.312 -8.066 7.210 1.00 0.00 H new ATOM 1279 N GLU B 40 3.996 -8.465 7.841 1.00 0.00 N ATOM 1280 CA GLU B 40 4.993 -7.401 7.896 1.00 0.00 C ATOM 1281 C GLU B 40 5.659 -7.226 6.537 1.00 0.00 C ATOM 1282 O GLU B 40 5.882 -6.101 6.086 1.00 0.00 O ATOM 1283 CB GLU B 40 6.071 -7.745 8.928 1.00 0.00 C ATOM 1284 CG GLU B 40 5.490 -7.668 10.338 1.00 0.00 C ATOM 1285 CD GLU B 40 5.251 -6.214 10.724 1.00 0.00 C ATOM 1286 OE1 GLU B 40 5.696 -5.347 9.990 1.00 0.00 O ATOM 1287 OE2 GLU B 40 4.628 -5.988 11.747 1.00 0.00 O ATOM 0 H GLU B 40 4.172 -9.248 8.470 1.00 0.00 H new ATOM 0 HA GLU B 40 4.489 -6.477 8.178 1.00 0.00 H new ATOM 0 HB2 GLU B 40 6.459 -8.746 8.740 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.910 -7.055 8.833 1.00 0.00 H new ATOM 0 HG2 GLU B 40 4.554 -8.224 10.385 1.00 0.00 H new ATOM 0 HG3 GLU B 40 6.174 -8.134 11.048 1.00 0.00 H new ATOM 1294 N ARG B 41 5.974 -8.341 5.888 1.00 0.00 N ATOM 1295 CA ARG B 41 6.612 -8.287 4.580 1.00 0.00 C ATOM 1296 C ARG B 41 5.676 -7.642 3.565 1.00 0.00 C ATOM 1297 O ARG B 41 6.099 -6.843 2.734 1.00 0.00 O ATOM 1298 CB ARG B 41 6.980 -9.702 4.116 1.00 0.00 C ATOM 1299 CG ARG B 41 8.087 -10.283 5.009 1.00 0.00 C ATOM 1300 CD ARG B 41 9.464 -9.813 4.525 1.00 0.00 C ATOM 1301 NE ARG B 41 10.513 -10.401 5.352 1.00 0.00 N ATOM 1302 CZ ARG B 41 11.796 -10.144 5.118 1.00 0.00 C ATOM 1303 NH1 ARG B 41 12.136 -9.357 4.135 1.00 0.00 N ATOM 1304 NH2 ARG B 41 12.716 -10.680 5.875 1.00 0.00 N ATOM 0 H ARG B 41 5.800 -9.282 6.241 1.00 0.00 H new ATOM 0 HA ARG B 41 7.519 -7.688 4.659 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.100 -10.344 4.151 1.00 0.00 H new ATOM 0 HB3 ARG B 41 7.315 -9.677 3.079 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.931 -9.971 6.042 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.041 -11.372 4.994 1.00 0.00 H new ATOM 0 HD2 ARG B 41 9.609 -10.098 3.483 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.522 -8.725 4.569 1.00 0.00 H new ATOM 0 HE ARG B 41 10.257 -11.019 6.122 1.00 0.00 H new ATOM 0 HH11 ARG B 41 11.417 -8.938 3.545 1.00 0.00 H new ATOM 0 HH12 ARG B 41 13.121 -9.160 3.956 1.00 0.00 H new ATOM 0 HH21 ARG B 41 12.449 -11.295 6.644 1.00 0.00 H new ATOM 0 HH22 ARG B 41 13.701 -10.484 5.697 1.00 0.00 H new ATOM 1318 N ALA B 42 4.398 -7.984 3.636 1.00 0.00 N ATOM 1319 CA ALA B 42 3.431 -7.407 2.717 1.00 0.00 C ATOM 1320 C ALA B 42 3.289 -5.907 2.972 1.00 0.00 C ATOM 1321 O ALA B 42 3.239 -5.105 2.040 1.00 0.00 O ATOM 1322 CB ALA B 42 2.073 -8.090 2.889 1.00 0.00 C ATOM 0 H ALA B 42 4.012 -8.647 4.309 1.00 0.00 H new ATOM 0 HA ALA B 42 3.784 -7.562 1.697 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.355 -7.651 2.196 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.173 -9.155 2.682 1.00 0.00 H new ATOM 0 HB3 ALA B 42 1.723 -7.951 3.912 1.00 0.00 H new ATOM 1328 N ALA B 43 3.215 -5.547 4.251 1.00 0.00 N ATOM 1329 CA ALA B 43 3.067 -4.151 4.651 1.00 0.00 C ATOM 1330 C ALA B 43 4.303 -3.316 4.317 1.00 0.00 C ATOM 1331 O ALA B 43 4.183 -2.163 3.902 1.00 0.00 O ATOM 1332 CB ALA B 43 2.798 -4.072 6.156 1.00 0.00 C ATOM 0 H ALA B 43 3.255 -6.205 5.029 1.00 0.00 H new ATOM 0 HA ALA B 43 2.227 -3.741 4.090 1.00 0.00 H new ATOM 0 HB1 ALA B 43 2.688 -3.029 6.452 1.00 0.00 H new ATOM 0 HB2 ALA B 43 1.882 -4.614 6.391 1.00 0.00 H new ATOM 0 HB3 ALA B 43 3.632 -4.517 6.699 1.00 0.00 H new ATOM 1338 N VAL B 44 5.488 -3.883 4.532 1.00 0.00 N ATOM 1339 CA VAL B 44 6.724 -3.146 4.278 1.00 0.00 C ATOM 1340 C VAL B 44 6.902 -2.870 2.784 1.00 0.00 C ATOM 1341 O VAL B 44 7.376 -1.803 2.398 1.00 0.00 O ATOM 1342 CB VAL B 44 7.929 -3.924 4.838 1.00 0.00 C ATOM 1343 CG1 VAL B 44 8.534 -4.838 3.772 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.998 -2.942 5.321 1.00 0.00 C ATOM 0 H VAL B 44 5.619 -4.834 4.876 1.00 0.00 H new ATOM 0 HA VAL B 44 6.662 -2.184 4.787 1.00 0.00 H new ATOM 0 HB VAL B 44 7.581 -4.537 5.669 1.00 0.00 H new ATOM 0 HG11 VAL B 44 9.383 -5.376 4.193 1.00 0.00 H new ATOM 0 HG12 VAL B 44 7.782 -5.552 3.436 1.00 0.00 H new ATOM 0 HG13 VAL B 44 8.868 -4.238 2.926 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.849 -3.496 5.717 1.00 0.00 H new ATOM 0 HG22 VAL B 44 9.325 -2.321 4.487 1.00 0.00 H new ATOM 0 HG23 VAL B 44 8.582 -2.308 6.104 1.00 0.00 H new ATOM 1354 N ALA B 45 6.519 -3.831 1.949 1.00 0.00 N ATOM 1355 CA ALA B 45 6.645 -3.666 0.503 1.00 0.00 C ATOM 1356 C ALA B 45 5.769 -2.522 0.001 1.00 0.00 C ATOM 1357 O ALA B 45 6.195 -1.722 -0.828 1.00 0.00 O ATOM 1358 CB ALA B 45 6.244 -4.963 -0.204 1.00 0.00 C ATOM 0 H ALA B 45 6.123 -4.724 2.243 1.00 0.00 H new ATOM 0 HA ALA B 45 7.685 -3.429 0.279 1.00 0.00 H new ATOM 0 HB1 ALA B 45 6.340 -4.834 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA B 45 6.896 -5.773 0.124 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.210 -5.207 0.042 1.00 0.00 H new ATOM 1364 N ILE B 46 4.542 -2.453 0.505 1.00 0.00 N ATOM 1365 CA ILE B 46 3.612 -1.404 0.094 1.00 0.00 C ATOM 1366 C ILE B 46 4.163 -0.034 0.476 1.00 0.00 C ATOM 1367 O ILE B 46 4.155 0.903 -0.323 1.00 0.00 O ATOM 1368 CB ILE B 46 2.265 -1.630 0.785 1.00 0.00 C ATOM 1369 CG1 ILE B 46 1.646 -2.927 0.264 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.310 -0.472 0.476 1.00 0.00 C ATOM 1371 CD1 ILE B 46 0.445 -3.303 1.131 1.00 0.00 C ATOM 0 H ILE B 46 4.168 -3.105 1.194 1.00 0.00 H new ATOM 0 HA ILE B 46 3.482 -1.440 -0.988 1.00 0.00 H new ATOM 0 HB ILE B 46 2.425 -1.689 1.861 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.335 -2.803 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.385 -3.728 0.281 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.356 -0.645 0.973 1.00 0.00 H new ATOM 0 HG22 ILE B 46 1.742 0.462 0.835 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.152 -0.408 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.003 -4.228 0.760 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.770 -3.444 2.162 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -0.297 -2.505 1.091 1.00 0.00 H new ATOM 1383 N GLN B 47 4.636 0.064 1.711 1.00 0.00 N ATOM 1384 CA GLN B 47 5.192 1.306 2.231 1.00 0.00 C ATOM 1385 C GLN B 47 6.439 1.723 1.458 1.00 0.00 C ATOM 1386 O GLN B 47 6.641 2.906 1.182 1.00 0.00 O ATOM 1387 CB GLN B 47 5.530 1.109 3.706 1.00 0.00 C ATOM 1388 CG GLN B 47 4.228 1.018 4.506 1.00 0.00 C ATOM 1389 CD GLN B 47 4.517 0.549 5.924 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.104 -0.515 6.112 1.00 0.00 O ATOM 1391 NE2 GLN B 47 4.141 1.279 6.936 1.00 0.00 N ATOM 0 H GLN B 47 4.645 -0.709 2.376 1.00 0.00 H new ATOM 0 HA GLN B 47 4.455 2.100 2.116 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.119 0.201 3.840 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.137 1.939 4.068 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.738 1.991 4.529 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.540 0.326 4.019 1.00 0.00 H new ATOM 0 HE21 GLN B 47 3.654 2.161 6.776 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.333 0.968 7.888 1.00 0.00 H new ATOM 1400 N SER B 48 7.275 0.750 1.112 1.00 0.00 N ATOM 1401 CA SER B 48 8.498 1.041 0.374 1.00 0.00 C ATOM 1402 C SER B 48 8.175 1.621 -1.002 1.00 0.00 C ATOM 1403 O SER B 48 8.855 2.529 -1.478 1.00 0.00 O ATOM 1404 CB SER B 48 9.313 -0.242 0.203 1.00 0.00 C ATOM 1405 OG SER B 48 8.573 -1.167 -0.582 1.00 0.00 O ATOM 0 H SER B 48 7.131 -0.236 1.328 1.00 0.00 H new ATOM 0 HA SER B 48 9.074 1.775 0.938 1.00 0.00 H new ATOM 0 HB2 SER B 48 10.266 -0.020 -0.278 1.00 0.00 H new ATOM 0 HB3 SER B 48 9.541 -0.675 1.177 1.00 0.00 H new ATOM 0 HG SER B 48 7.615 -1.042 -0.418 1.00 0.00 H new ATOM 1411 N GLN B 49 7.133 1.090 -1.631 1.00 0.00 N ATOM 1412 CA GLN B 49 6.724 1.557 -2.952 1.00 0.00 C ATOM 1413 C GLN B 49 6.221 2.998 -2.904 1.00 0.00 C ATOM 1414 O GLN B 49 6.474 3.778 -3.820 1.00 0.00 O ATOM 1415 CB GLN B 49 5.632 0.647 -3.519 1.00 0.00 C ATOM 1416 CG GLN B 49 6.222 -0.721 -3.873 1.00 0.00 C ATOM 1417 CD GLN B 49 7.213 -0.593 -5.027 1.00 0.00 C ATOM 1418 OE1 GLN B 49 6.923 0.065 -6.025 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.372 -1.188 -4.948 1.00 0.00 N ATOM 0 H GLN B 49 6.557 0.339 -1.250 1.00 0.00 H new ATOM 0 HA GLN B 49 7.599 1.524 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN B 49 4.831 0.529 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.191 1.103 -4.406 1.00 0.00 H new ATOM 0 HG2 GLN B 49 6.722 -1.145 -3.002 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.422 -1.409 -4.147 1.00 0.00 H new ATOM 0 HE21 GLN B 49 8.610 -1.733 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.040 -1.108 -5.715 1.00 0.00 H new ATOM 1428 N PHE B 50 5.497 3.345 -1.843 1.00 0.00 N ATOM 1429 CA PHE B 50 4.963 4.698 -1.720 1.00 0.00 C ATOM 1430 C PHE B 50 6.090 5.724 -1.749 1.00 0.00 C ATOM 1431 O PHE B 50 6.019 6.710 -2.482 1.00 0.00 O ATOM 1432 CB PHE B 50 4.140 4.839 -0.430 1.00 0.00 C ATOM 1433 CG PHE B 50 3.765 6.293 -0.216 1.00 0.00 C ATOM 1434 CD1 PHE B 50 3.041 6.989 -1.197 1.00 0.00 C ATOM 1435 CD2 PHE B 50 4.144 6.950 0.967 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.704 8.335 -1.001 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.802 8.297 1.161 1.00 0.00 C ATOM 1438 CZ PHE B 50 3.086 8.990 0.176 1.00 0.00 C ATOM 0 H PHE B 50 5.270 2.721 -1.069 1.00 0.00 H new ATOM 0 HA PHE B 50 4.306 4.885 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.240 4.227 -0.493 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.715 4.473 0.421 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.743 6.486 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.698 6.418 1.726 1.00 0.00 H new ATOM 0 HE1 PHE B 50 2.149 8.868 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE B 50 4.091 8.801 2.072 1.00 0.00 H new ATOM 0 HZ PHE B 50 2.829 10.028 0.325 1.00 0.00 H new ATOM 1448 N ARG B 51 7.128 5.494 -0.954 1.00 0.00 N ATOM 1449 CA ARG B 51 8.253 6.416 -0.912 1.00 0.00 C ATOM 1450 C ARG B 51 8.927 6.505 -2.280 1.00 0.00 C ATOM 1451 O ARG B 51 9.324 7.585 -2.718 1.00 0.00 O ATOM 1452 CB ARG B 51 9.264 5.917 0.113 1.00 0.00 C ATOM 1453 CG ARG B 51 8.611 5.934 1.488 1.00 0.00 C ATOM 1454 CD ARG B 51 9.651 5.624 2.555 1.00 0.00 C ATOM 1455 NE ARG B 51 8.994 5.503 3.845 1.00 0.00 N ATOM 1456 CZ ARG B 51 8.575 4.328 4.309 1.00 0.00 C ATOM 1457 NH1 ARG B 51 8.749 3.238 3.608 1.00 0.00 N ATOM 1458 NH2 ARG B 51 7.978 4.265 5.466 1.00 0.00 N ATOM 0 H ARG B 51 7.213 4.686 -0.337 1.00 0.00 H new ATOM 0 HA ARG B 51 7.889 7.406 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG B 51 9.591 4.908 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG B 51 10.152 6.550 0.108 1.00 0.00 H new ATOM 0 HG2 ARG B 51 8.163 6.910 1.676 1.00 0.00 H new ATOM 0 HG3 ARG B 51 7.806 5.200 1.528 1.00 0.00 H new ATOM 0 HD2 ARG B 51 10.174 4.699 2.312 1.00 0.00 H new ATOM 0 HD3 ARG B 51 10.401 6.414 2.589 1.00 0.00 H new ATOM 0 HE ARG B 51 8.850 6.340 4.410 1.00 0.00 H new ATOM 0 HH11 ARG B 51 9.209 3.284 2.699 1.00 0.00 H new ATOM 0 HH12 ARG B 51 8.425 2.341 3.971 1.00 0.00 H new ATOM 0 HH21 ARG B 51 7.833 5.114 6.012 1.00 0.00 H new ATOM 0 HH22 ARG B 51 7.655 3.366 5.825 1.00 0.00 H new ATOM 1472 N LYS B 52 9.053 5.362 -2.949 1.00 0.00 N ATOM 1473 CA LYS B 52 9.682 5.322 -4.267 1.00 0.00 C ATOM 1474 C LYS B 52 8.862 6.117 -5.280 1.00 0.00 C ATOM 1475 O LYS B 52 9.414 6.833 -6.115 1.00 0.00 O ATOM 1476 CB LYS B 52 9.812 3.869 -4.744 1.00 0.00 C ATOM 1477 CG LYS B 52 11.215 3.320 -4.440 1.00 0.00 C ATOM 1478 CD LYS B 52 11.425 3.206 -2.927 1.00 0.00 C ATOM 1479 CE LYS B 52 12.923 3.115 -2.628 1.00 0.00 C ATOM 1480 NZ LYS B 52 13.485 1.898 -3.278 1.00 0.00 N ATOM 0 H LYS B 52 8.731 4.458 -2.604 1.00 0.00 H new ATOM 0 HA LYS B 52 10.673 5.769 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS B 52 9.060 3.251 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS B 52 9.619 3.814 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS B 52 11.339 2.342 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS B 52 11.971 3.977 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS B 52 10.994 4.071 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS B 52 10.912 2.324 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS B 52 13.433 4.005 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS B 52 13.088 3.075 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 14.423 1.693 -2.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 12.852 1.090 -3.109 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 13.573 2.060 -4.302 1.00 0.00 H new ATOM 1494 N PHE B 53 7.542 5.983 -5.201 1.00 0.00 N ATOM 1495 CA PHE B 53 6.657 6.691 -6.118 1.00 0.00 C ATOM 1496 C PHE B 53 6.857 8.198 -5.981 1.00 0.00 C ATOM 1497 O PHE B 53 6.974 8.913 -6.977 1.00 0.00 O ATOM 1498 CB PHE B 53 5.198 6.337 -5.818 1.00 0.00 C ATOM 1499 CG PHE B 53 4.295 7.033 -6.810 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.018 6.432 -8.045 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.728 8.273 -6.494 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.177 7.070 -8.964 1.00 0.00 C ATOM 1503 CE2 PHE B 53 2.886 8.912 -7.413 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.610 8.311 -8.647 1.00 0.00 C ATOM 0 H PHE B 53 7.065 5.396 -4.517 1.00 0.00 H new ATOM 0 HA PHE B 53 6.897 6.390 -7.138 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.055 5.258 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE B 53 4.941 6.639 -4.803 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.454 5.474 -8.288 1.00 0.00 H new ATOM 0 HD2 PHE B 53 3.940 8.737 -5.542 1.00 0.00 H new ATOM 0 HE1 PHE B 53 2.966 6.606 -9.916 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.449 9.869 -7.169 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.960 8.804 -9.354 1.00 0.00 H new ATOM 1514 N GLN B 54 6.889 8.669 -4.740 1.00 0.00 N ATOM 1515 CA GLN B 54 7.071 10.092 -4.472 1.00 0.00 C ATOM 1516 C GLN B 54 8.420 10.565 -5.003 1.00 0.00 C ATOM 1517 O GLN B 54 8.531 11.662 -5.553 1.00 0.00 O ATOM 1518 CB GLN B 54 7.006 10.347 -2.963 1.00 0.00 C ATOM 1519 CG GLN B 54 5.583 10.108 -2.445 1.00 0.00 C ATOM 1520 CD GLN B 54 4.613 11.111 -3.064 1.00 0.00 C ATOM 1521 OE1 GLN B 54 3.693 10.722 -3.784 1.00 0.00 O ATOM 1522 NE2 GLN B 54 4.765 12.384 -2.826 1.00 0.00 N ATOM 0 H GLN B 54 6.792 8.090 -3.906 1.00 0.00 H new ATOM 0 HA GLN B 54 6.276 10.644 -4.974 1.00 0.00 H new ATOM 0 HB2 GLN B 54 7.704 9.689 -2.446 1.00 0.00 H new ATOM 0 HB3 GLN B 54 7.312 11.370 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN B 54 5.268 9.093 -2.685 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.565 10.199 -1.359 1.00 0.00 H new ATOM 0 HE21 GLN B 54 5.528 12.704 -2.229 1.00 0.00 H new ATOM 0 HE22 GLN B 54 4.121 13.060 -3.237 1.00 0.00 H new ATOM 1531 N LYS B 55 9.444 9.736 -4.834 1.00 0.00 N ATOM 1532 CA LYS B 55 10.782 10.083 -5.298 1.00 0.00 C ATOM 1533 C LYS B 55 10.781 10.298 -6.809 1.00 0.00 C ATOM 1534 O LYS B 55 11.368 11.256 -7.310 1.00 0.00 O ATOM 1535 CB LYS B 55 11.767 8.967 -4.932 1.00 0.00 C ATOM 1536 CG LYS B 55 13.180 9.346 -5.388 1.00 0.00 C ATOM 1537 CD LYS B 55 14.161 8.249 -4.969 1.00 0.00 C ATOM 1538 CE LYS B 55 15.561 8.595 -5.479 1.00 0.00 C ATOM 1539 NZ LYS B 55 16.018 9.868 -4.854 1.00 0.00 N ATOM 0 H LYS B 55 9.374 8.824 -4.382 1.00 0.00 H new ATOM 0 HA LYS B 55 11.091 11.009 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.756 8.800 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS B 55 11.462 8.032 -5.403 1.00 0.00 H new ATOM 0 HG2 LYS B 55 13.202 9.475 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS B 55 13.473 10.299 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.172 8.151 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.843 7.288 -5.373 1.00 0.00 H new ATOM 0 HE2 LYS B 55 16.256 7.790 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS B 55 15.550 8.694 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 17.048 9.958 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.549 10.671 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 15.776 9.865 -3.843 1.00 0.00 H new